SCHEMBL3910971

SCHEMBL3910971

Cc1c(-c2ccc(OCc3ccccc3)c(O)c2)sc(C(=O)O)c1OCCO

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.43
EGFR P00533 2/20 0.41
SRC P12931 1/20 0.41
MCL1 Q07820 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
EDNRA P25101 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGER1 P34995 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN6 P29350 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3905245 0.92 PTPN1 (0.43) PTPN1MCL1MAPTCYP2C9CYP2C19
SCHEMBL3910233 0.92 PTPN1 (0.45) PTPN1MCL1MAPTCYP2C9CYP2C19
SCHEMBL3915398 0.90 PTPN1 (0.55) PTPN1PTPN2PTPN6
SCHEMBL3914768 0.88 PTPN1 (0.57) PTPN1PTPN2
SCHEMBL3906592 0.88 PTPN1 (0.43) PTPN1EGFRSRCMCL1KDM4E
SCHEMBL3906870 0.82 PTPN1 (0.55) PTPN1MCL1PTPN2PTPN6
SCHEMBL3909425 0.81 PTPN1 (0.57) PTPN1PTPN2PTPN6
SCHEMBL3903503 0.80 MCL1 (0.46) PTPN1MCL1EDNRAKDM4EALDH1A1
SCHEMBL3913630 0.80 PTPN1 (0.57) PTPN1MCL1PTPN2
SCHEMBL3908938 0.79 MCL1 (0.45) PTPN1MCL1CYP2C9MRGPRX4KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM PTPN1 11/4885EGFR 1355/4885SRC 95/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.